Molecular Orbital Diagram for Tetrahedral Compound

Click For Summary
SUMMARY

The discussion focuses on constructing a molecular orbital correlation diagram for the tetrahedral compound [NiX4]2-, specifically incorporating the ligand pi-orbital basis alongside the previously established sigma-orbital basis. The participant has accounted for 12 electrons from nickel (10 in 3d and 2 in 4s) and 4 electrons from the ligand sigma orbitals. They have identified the ligand pi-orbital basis as T2+T1+E and are seeking guidance on electron placement, emphasizing that the ligand pi-orbitals cannot remain empty to avoid redundancy with the sigma-only diagram.

PREREQUISITES
  • Understanding of molecular orbital theory
  • Familiarity with tetrahedral geometry in coordination compounds
  • Knowledge of symmetry operations and character tables
  • Experience with electron counting in transition metal complexes
NEXT STEPS
  • Study the construction of molecular orbital diagrams for tetrahedral complexes
  • Research the role of ligand field theory in electron distribution
  • Learn about the interaction of d-orbitals with ligand pi-orbitals
  • Explore the application of symmetry in molecular orbital theory
USEFUL FOR

Chemistry students, particularly those studying coordination chemistry and molecular orbital theory, as well as educators and researchers involved in advanced inorganic chemistry topics.

rmjmu507
Messages
34
Reaction score
0

Homework Statement


I'm trying to construct a molecular orbital correlation diagram for a tetrahedral compound [NiX4]2- considering the ligand pi-orbital basis. I've already constructed a diagram wherein the only the sigma-orbital basis is considered. In that diagram, I had 12 electrons for the nickel (10 in 3d - 6 with T2 symmetry and 4 with E symmetry; 2 in 4s with A1 symmetry) and 4 electrons for the 4 ligand sigma orbitals (3 with T2 symmetry and 1 with A1 symmetry).

I've determined that the ligand pi-orbital basis is represented by T2+T1+E...I'm just having trouble filling in the electrons at this point.

Assuming that the ligand is a halogen or similar pi-donor (so the complex has 16 electrons overall), I don't think the ligand pi-orbital basis can remain empty as this would result in a similar diagram to the sigma only case. But I don't know how to place my electrons. Can someone please provide some guidance? The T1 orbitals will stay nonbonding, and it would be nice to have the 3d electrons with E symmetry interact with the ligand pi-orbitals with E symmetry, but I don't know how to make this work...

Homework Equations


None

The Attempt at a Solution


See above for description.
 
Physics news on Phys.org
Thanks for the post! Sorry you aren't generating responses at the moment. Do you have any further information, come to any new conclusions or is it possible to reword the post?
 

Similar threads

  • · Replies 4 ·
Replies
4
Views
3K
  • · Replies 3 ·
Replies
3
Views
2K
  • · Replies 1 ·
Replies
1
Views
2K
  • · Replies 1 ·
Replies
1
Views
2K
  • · Replies 1 ·
Replies
1
Views
3K
  • · Replies 1 ·
Replies
1
Views
12K
  • · Replies 5 ·
Replies
5
Views
8K
  • · Replies 2 ·
Replies
2
Views
3K
  • · Replies 9 ·
Replies
9
Views
27K
  • · Replies 4 ·
Replies
4
Views
3K